SCHEMBL27730899

SCHEMBL27730899

O=C(OO)C1CC=CCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.46
ALDH1A1 P00352 3/20 0.42
ALOX15 P16050 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
ESR2 Q92731 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
RAB9A P51151 1/20 0.37
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11536892 0.84 MIF (0.47) MIFALDH1A1ALOX15MEN1KMT2A
SCHEMBL10109724 0.84
SCHEMBL13649880 0.82 MIF (0.43) MIFALDH1A1ALOX15MEN1KMT2A
SCHEMBL9613490 0.81 TDP1 (0.46) MIFALDH1A1ALOX15MEN1KMT2A
SCHEMBL6966144 0.81 MIF (0.45) MIFALDH1A1ALOX15MEN1KMT2A
SCHEMBL91215 0.81 TDP1 (0.46) MIFALDH1A1ALOX15MEN1KMT2A
SCHEMBL15354918 0.81 MIF (0.45) MIFALDH1A1ALOX15MEN1KMT2A
SCHEMBL15747683 0.81 MIF (0.45) MIFALDH1A1ALOX15MEN1KMT2A
SCHEMBL11982130 0.81 TDP1 (0.46) MIFALDH1A1ALOX15MEN1KMT2A
SCHEMBL472177 0.80 MIF (0.42) MIFALDH1A1ALOX15MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101302225-A Production of polyketides and other natural products BIOTICA TECH LTD (GB) 2008-11-12 CN disclosed